CID 49246

5-butyl-5-vinylbarbituric acid

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CCCCC1(C(=O)NC(=O)NC1=O)C=C
InChI
InChI=1S/C10H14N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h4H,2-3,5-6H2,1H3,(H2,11,12,13,14,15)
InChIKey
ZCIJMYRBMAWERK-UHFFFAOYSA-N
Compound name
5-butyl-5-ethenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.10045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 148.9
[M+Na]+ 233.08967 158.3
[M+NH4]+ 228.13427 155.0
[M+K]+ 249.06361 151.8
[M-H]- 209.09317 146.5
[M+Na-2H]- 231.07512 151.6
[M]+ 210.09990 149.2
[M]- 210.10100 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.